CID 169501894

Tolperisone metabolite m2

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC(CN1CCCCC1)C(C2=CC=C(C=C2)CO)O
InChI
InChI=1S/C16H25NO2/c1-13(11-17-9-3-2-4-10-17)16(19)15-7-5-14(12-18)6-8-15/h5-8,13,16,18-19H,2-4,9-12H2,1H3
InChIKey
HORYCHJJZWLKBP-UHFFFAOYSA-N
Compound name
1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 165.3
[M+Na]+ 286.17776 167.3
[M-H]- 262.18126 166.3
[M+NH4]+ 281.22236 178.5
[M+K]+ 302.15170 163.7
[M+H-H2O]+ 246.18580 157.2
[M+HCOO]- 308.18674 178.7
[M+CH3COO]- 322.20239 193.5
[M+Na-2H]- 284.16321 165.2
[M]+ 263.18799 159.5
[M]- 263.18909 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.